SCHEMBL19782653

SCHEMBL19782653

COCc1ccc2nc(Br)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CA2 P00918 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
SULT1A1 P50225 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2D6 P10635 1/20 0.38
APP P05067 4/20 0.38
MAPT P10636 2/20 0.38
PDK1 Q15118 1/20 0.37
KCNH2 Q12809 1/20 0.37
CSNK1D P48730 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7601340 0.81 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TP53CYP1A2
SCHEMBL14858946 0.80 NPC1 (0.40) RAB9ANPC1SMN1; SMN2CA2CYP3A4
SCHEMBL21137709 0.78 CYP3A4 (0.42) RAB9ANPC1SMN1; SMN2CA2PIK3CD
SCHEMBL7407979 0.77 APP (0.54) RAB9ANPC1SMN1; SMN2CA2PIK3CA
SCHEMBL2275594 0.77 RAB9A (0.54) RAB9ANPC1SMN1; SMN2CA2TP53
SCHEMBL1572914 0.76 APP (0.56) RAB9ANPC1SULT1A1APPMAPT
SCHEMBL14835983 0.75 CASP3 (0.56) RAB9ANPC1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL5161246 0.75 RAB9A (0.42) RAB9ANPC1SMN1; SMN2CYP3A4CYP1A2
SCHEMBL1638573 0.74 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TP53APP
SCHEMBL7407031 0.74 CYP3A4 (0.36) RAB9ANPC1SMN1; SMN2CA2TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 RAB9A 748/4885NPC1 2194/4885SMN1; SMN2 3957/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 RAB9A 667/4885NPC1 2639/4885SMN1; SMN2 3677/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 RAB9A 748/4885NPC1 2194/4885SMN1; SMN2 3957/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.